3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide

C11H15N5O2 — CID 64548284

IUPAC3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H15N5O2/c1-7-10(8(2)18-16-7)11(17)12-5-3-4-9-13-6-14-15-9/h6H,3-5H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyIQJCWHFULAELJT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.77
Rot. Bonds5

About 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 64548284) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID64548284
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H15N5O2/c1-7-10(8(2)18-16-7)11(17)12-5-3-4-9-13-6-14-15-9/h6H,3-5H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyIQJCWHFULAELJT-UHFFFAOYSA-N
XLogP0.77
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547519
4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 64546330
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64519526

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide (CID 64548284) is 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is IQJCWHFULAELJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-10(8(2)18-16-7)11(17)12-5-3-4-9-13-6-14-15-9/h6H,3-5H2,1-2H3,(H,12,17)(H,13,14,15).
What are the key properties of 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 64548284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).